Information card for entry 2220959

Structure parameters

• Chemical name: 1,4-Bis(3-pyridylmethyleneaminomethyl)benzene
• Formula: C20 H18 N4
• Calculated formula: C20 H18 N4
• SMILES: c1ccc(cn1)/C=N/Cc1ccc(cc1)C/N=C/c1cccnc1
• Title of publication: 1,4-Bis(3-pyridylmethyleneaminomethyl)benzene
• Authors of publication: He, Ming-Yang; Li, Chao; Xu, Huan; Hu, Zhao-Jian; Chen, Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o285
• a: 6.099 ± 0.0011 Å
• b: 14.589 ± 0.003 Å
• c: 9.9481 ± 0.0018 Å
• α: 90°
• β: 107.851 ± 0.003°
• γ: 90°
• Cell volume: 842.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes